cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone

C16H28N2O3 — CID 157039452

IUPACcyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C16H28N2O3/c19-11-14-9-15(20)5-8-18(14)10-12-3-6-17(7-4-12)16(21)13-1-2-13/h12-15,19-20H,1-11H2
InChIKeyIIQNKHUTFZNOTP-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.45
Rot. Bonds4

About cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone

cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 157039452) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID157039452
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namecyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C16H28N2O3/c19-11-14-9-15(20)5-8-18(14)10-12-3-6-17(7-4-12)16(21)13-1-2-13/h12-15,19-20H,1-11H2
InChIKeyIIQNKHUTFZNOTP-UHFFFAOYSA-N
XLogP0.45
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone (CID 157039452) is cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(CN2CCC(O)CC2CO)CC1.
What is the InChIKey of cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is IIQNKHUTFZNOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-11-14-9-15(20)5-8-18(14)10-12-3-6-17(7-4-12)16(21)13-1-2-13/h12-15,19-20H,1-11H2.
What are the key properties of cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 296.41 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 157039452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).